============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 48 rings ring int. center anis. iso. TYR 9 0.840 14.806 61.105 7.059 -99.200 -91.000 TRP 28 1.040 30.972 57.108 27.476 -99.200 -91.000 TRP6 28 1.020 31.080 58.613 29.300 -99.200 -91.000 TRP 34 1.040 20.415 66.924 26.169 -99.200 -91.000 TRP6 34 1.020 19.752 68.066 28.139 -99.200 -91.000 PHE 38 1.000 14.309 61.659 20.519 -99.200 -91.000 PHE 47 1.000 15.688 50.556 18.946 -99.200 -91.000 PHE 59 1.000 11.173 45.055 44.537 -99.200 -91.000 TYR 64 0.840 6.959 54.123 48.111 -99.200 -91.000 PHE 67 1.000 2.990 56.960 45.292 -99.200 -91.000 PHE 71 1.000 5.323 53.057 36.436 -99.200 -91.000 HIS 78 0.900 2.217 60.369 27.960 -99.200 -91.000 PHE 79 1.000 8.350 52.175 28.753 -99.200 -91.000 HIS 83 0.900 8.629 50.348 19.155 -99.200 -91.000 HIS 86 0.900 5.951 40.257 30.209 -99.200 -91.000 TYR 87 0.840 3.221 48.200 31.441 -99.200 -91.000 TYR 88 0.840 8.733 41.233 33.167 -99.200 -91.000 PHE 90 1.000 10.108 41.881 40.007 -99.200 -91.000 PHE 115 1.000 10.898 37.099 36.986 -99.200 -91.000 PHE 120 1.000 13.214 40.289 34.297 -99.200 -91.000 TYR 126 0.840 17.173 46.953 23.747 -99.200 -91.000 PHE 136 1.000 6.427 56.335 31.887 -99.200 -91.000 HIS 139 0.900 8.515 59.266 22.329 -99.200 -91.000 PHE 149 1.000 18.144 53.257 29.787 -99.200 -91.000 HIS 153 0.900 19.528 63.638 41.587 -99.200 -91.000 PHE 156 1.000 23.331 66.147 43.181 -99.200 -91.000 TYR 157 0.840 20.252 70.248 34.883 -99.200 -91.000 PHE 164 1.000 28.481 65.163 39.564 -99.200 -91.000 TYR 166 0.840 30.090 60.562 41.847 -99.200 -91.000 TYR 175 0.840 37.211 56.522 47.601 -99.200 -91.000 PHE 183 1.000 27.741 62.962 32.040 -99.200 -91.000 TYR 184 0.840 24.424 61.417 42.263 -99.200 -91.000 TYR 185 0.840 25.643 58.122 34.892 -99.200 -91.000 PHE 189 1.000 13.981 56.181 32.685 -99.200 -91.000 PHE 190 1.000 18.834 50.390 36.983 -99.200 -91.000 HIS 205 0.900 22.674 40.765 46.161 -99.200 -91.000 TRP 220 1.040 22.501 60.247 48.678 -99.200 -91.000 TRP6 220 1.020 20.342 60.662 49.562 -99.200 -91.000 HIS 221 0.900 20.761 53.939 51.596 -99.200 -91.000 HIS 225 0.900 26.876 50.055 46.693 -99.200 -91.000 TYR 229 0.840 28.138 47.972 36.254 -99.200 -91.000 HIS 233 0.900 31.684 47.972 34.742 -99.200 -91.000 TYR 243 0.840 14.239 60.538 28.054 -99.200 -91.000 TRP 245 1.040 12.178 68.731 36.114 -99.200 -91.000 TRP6 245 1.020 14.451 69.361 35.964 -99.200 -91.000 TRP 252 1.040 9.114 72.782 31.283 -99.200 -91.000 TRP6 252 1.020 6.941 72.140 30.593 -99.200 -91.000 PHE 261 1.000 9.174 57.791 35.074 -99.200 -91.000